REMARK VINA RESULT: -5.1 1.893 2.191 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_2 and N_4 REMARK I between atoms: N_2 and C_8 REMARK 2 A between atoms: C_5 and C_8 ROOT ATOM 1 O UNL d 1 3.536 4.884 5.596 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 2.647 5.233 3.494 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 3.664 4.885 4.374 0.00 0.00 0.265 C ATOM 4 H UNL d 1 2.870 5.474 2.530 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 4.960 4.508 3.750 0.00 0.00 0.036 A ATOM 6 C UNL d 1 5.109 4.489 2.363 0.00 0.00 0.036 A ATOM 7 C UNL d 1 6.334 4.103 1.852 0.00 0.00 0.117 A ATOM 8 N UNL d 1 7.386 3.750 2.619 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 7.205 3.765 3.959 0.00 0.00 0.117 A ATOM 10 C UNL d 1 6.021 4.129 4.570 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 1.396 5.631 4.008 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 1.518 5.844 5.001 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 1.177 6.545 3.583 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2